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{
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{
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"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000000 6.007370 0.000075\n4.777976 0.000000 0.000000\n0.000000 -0.001973 -10.126922\nLi V Si O\n4 4 4 16\ndirect\n0.006429 0.727087 0.784505 Li\n0.006429 0.272913 0.284505 Li\n0.506637 0.227100 0.715493 Li\n0.506636 0.772901 0.215493 Li\n0.256528 0.750012 0.499999 V\n0.256528 0.249989 0.999999 V\n0.756530 0.249989 -0.000001 V\n0.756530 0.750011 0.499998 V\n0.006571 0.828915 0.093617 Si\n0.006571 0.171086 0.593616 Si\n0.506487 0.328935 0.406383 Si\n0.506487 0.671065 0.906383 Si\n0.232848 0.975017 0.152466 O\n0.506511 0.984022 0.415669 O\n0.506511 0.015979 0.915669 O\n0.232848 0.024984 0.652466 O\n0.780365 0.024955 0.652493 O\n0.006501 0.014140 0.442193 O\n0.506557 0.485884 0.557806 O\n0.280210 0.524965 0.847533 O\n0.732692 0.475063 0.347504 O\n0.006547 0.484000 0.084331 O\n0.006547 0.516001 0.584331 O\n0.732692 0.524938 0.847504 O\n0.780365 0.975046 0.152493 O\n0.506557 0.514117 0.057806 O\n0.280210 0.475035 0.347533 O\n0.006501 0.985860 0.942193 O\n",
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"structure_string": "Li2 U2 P2 H16 O20\n1.0\n6.902416 -0.000000 0.000000\n0.000000 6.902416 0.000000\n0.000000 -0.000000 9.031691\nLi U P H O\n2 2 2 16 20\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.250000 0.250000 0.104302 U\n0.750000 0.750000 0.895698 U\n0.750000 0.250000 0.000000 P\n0.250000 0.750000 0.000000 P\n0.584106 0.895692 0.385392 H\n0.424842 0.835312 0.270933 H\n0.835312 0.075158 0.270933 H\n0.075158 0.664689 0.270933 H\n0.084105 0.395692 0.614608 H\n0.604309 0.584106 0.385392 H\n0.164688 0.924842 0.729066 H\n0.104308 0.084105 0.614608 H\n0.575159 0.164688 0.729066 H\n0.924842 0.335312 0.729066 H\n0.895692 0.915895 0.385392 H\n0.664689 0.424842 0.270933 H\n0.395692 0.415895 0.614608 H\n0.915895 0.604309 0.385392 H\n0.335312 0.575159 0.729066 H\n0.415895 0.104308 0.614608 H\n0.750000 0.750000 0.693916 O\n0.250000 0.250000 0.306084 O\n0.471104 0.806931 0.372538 O\n0.078835 0.805048 0.897447 O\n0.028897 0.693070 0.372538 O\n0.578835 0.305048 0.102552 O\n0.806931 0.028897 0.372538 O\n0.693070 0.471104 0.372538 O\n0.971104 0.306931 0.627462 O\n0.421166 0.694952 0.897447 O\n0.750000 0.750000 0.097280 O\n0.528897 0.193069 0.627462 O\n0.193069 0.971104 0.627462 O\n0.305048 0.921166 0.102552 O\n0.921166 0.194952 0.102552 O\n0.250000 0.250000 0.902720 O\n0.194952 0.578835 0.102552 O\n0.694952 0.078835 0.897447 O\n0.306931 0.528897 0.627462 O\n0.805048 0.421166 0.897447 O\n",
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{
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"created_at": "2022-09-04T14:38:07.536456Z",
"updated_at": "2022-09-04T14:38:07.536482Z",
"structure_string": "Sr7 H12 Cl2\n1.0\n4.980159 -8.625888 0.000000\n4.980159 8.625888 0.000000\n-0.000000 -0.000000 3.927506\nSr H Cl\n7 12 2\ndirect\n0.783723 0.050185 0.500000 Sr\n0.362656 0.921206 0.000000 Sr\n0.078794 0.441450 0.000000 Sr\n0.558550 0.637344 0.000000 Sr\n0.666667 0.333333 0.000000 Sr\n0.266462 0.216277 0.500000 Sr\n0.949815 0.733538 0.500000 Sr\n0.092002 0.698826 0.000000 H\n0.301174 0.393176 0.000000 H\n0.606824 0.907998 0.000000 H\n0.824182 0.214243 0.000000 H\n0.390062 0.175818 0.000000 H\n0.785757 0.609939 0.000000 H\n0.227072 0.943044 0.500000 H\n0.056956 0.284028 0.500000 H\n0.563547 0.116862 0.500000 H\n0.553316 0.436453 0.500000 H\n0.883138 0.446685 0.500000 H\n0.715972 0.772928 0.500000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:38.206308Z",
"structure_string": "Li4 Mn2 Cr2 P4 O16\n1.0\n0.000000 4.736750 0.005428\n6.203159 0.000000 0.000000\n0.000000 -0.290851 -10.250670\nLi Mn Cr P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.031763 0.750000 0.283437 Mn\n0.968238 0.250000 0.716562 Mn\n0.558425 0.250000 0.214893 Cr\n0.441575 0.750000 0.785106 Cr\n0.423371 0.250000 0.910193 P\n0.906228 0.750000 0.595927 P\n0.093772 0.250000 0.404072 P\n0.576630 0.750000 0.089807 P\n0.284607 0.052338 0.839026 O\n0.284607 0.447662 0.839026 O\n0.778715 0.547284 0.662404 O\n0.778715 0.952716 0.662404 O\n0.233172 0.750000 0.603445 O\n0.215235 0.250000 0.546665 O\n0.784765 0.750000 0.453335 O\n0.252765 0.750000 0.090796 O\n0.221285 0.047284 0.337596 O\n0.221285 0.452716 0.337596 O\n0.715394 0.552338 0.160973 O\n0.715394 0.947662 0.160973 O\n0.747235 0.250000 0.909203 O\n0.307554 0.250000 0.051302 O\n0.766829 0.250000 0.396554 O\n0.692447 0.750000 0.948698 O\n",
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"formula_full": "Li4 Mn2 Cr2 P4 O16",
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{
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"created_at": "2022-09-04T14:38:38.925096Z",
"updated_at": "2022-09-04T14:38:38.925124Z",
"structure_string": "Ti1 O1 F4\n1.0\n-2.748622 2.748622 2.242766\n2.748622 -2.748622 2.242766\n2.748622 2.748622 -2.242766\nTi O F\n1 1 4\ndirect\n0.114646 0.114646 -0.000000 Ti\n0.578264 0.578264 -0.000000 O\n0.910091 0.343416 0.169508 F\n0.740583 0.910091 0.566676 F\n0.343415 0.173908 0.433325 F\n0.173908 0.740583 0.830493 F\n",
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{
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"created_at": "2022-09-04T14:36:38.929925Z",
"updated_at": "2022-09-04T14:36:38.929952Z",
"structure_string": "Rb2 Nd1 Cu1 Cl6\n1.0\n6.409200 -0.000000 3.700354\n2.136400 6.042652 3.700354\n0.000000 0.000000 7.400707\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759191 0.240809 0.240809 Cl\n0.240809 0.240809 0.759191 Cl\n0.240809 0.759190 0.759191 Cl\n0.240809 0.759190 0.240809 Cl\n0.759191 0.240809 0.759190 Cl\n0.759191 0.759190 0.240809 Cl\n",
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{
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"structure_string": "Ti1 V4 Fe1 O12\n1.0\n6.516515 0.030538 1.737328\n0.247126 6.511899 1.737328\n0.003991 0.003860 5.708621\nTi V Fe O\n1 4 1 12\ndirect\n0.088926 0.911074 0.500000 Ti\n0.799851 0.610740 0.005279 V\n0.610620 0.796546 0.510957 V\n0.389260 0.200149 -0.005278 V\n0.203455 0.389380 0.489043 V\n0.909971 0.090028 0.000000 Fe\n0.183974 0.030564 0.124862 O\n0.375282 0.335536 0.687255 O\n0.364135 0.911921 0.517800 O\n0.346146 0.380823 0.185908 O\n0.664464 0.624718 0.312746 O\n0.811868 0.966357 0.395669 O\n0.619177 0.653854 0.814092 O\n0.088079 0.635866 0.482201 O\n0.915340 0.373628 0.015513 O\n0.969435 0.816026 0.875139 O\n0.626372 0.084659 0.984488 O\n0.033644 0.188132 0.604331 O\n",
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{
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"structure_string": "Cr4 N8\n1.0\n-4.898412 -0.023968 -0.031758\n1.710337 4.742414 0.023461\n-0.094474 -1.383794 -6.694430\nCr N\n4 8\ndirect\n0.207515 0.110261 0.909093 Cr\n0.297372 0.007705 0.478925 Cr\n0.509348 0.645886 0.806055 Cr\n0.787280 0.420261 0.191690 Cr\n0.232091 0.266995 0.674431 N\n0.422369 0.798368 0.573305 N\n0.981140 0.748793 0.318485 N\n0.859969 0.826327 0.788107 N\n0.045151 0.239880 0.096457 N\n0.588512 0.427462 0.983748 N\n0.358615 0.851970 0.964838 N\n0.575345 0.215891 0.348799 N\n",
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{
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"structure_string": "Rb4 H4 Se4 O16\n1.0\n12.917694 0.000000 0.000000\n0.000000 4.605837 0.000000\n0.000000 0.000000 7.478999\nRb H Se O\n4 4 4 16\ndirect\n0.877846 0.817838 0.452278 Rb\n0.622154 0.182162 0.952278 Rb\n0.377846 0.682163 0.547722 Rb\n0.122154 0.317838 0.047722 Rb\n0.886211 0.272730 0.825492 H\n0.613788 0.727270 0.325492 H\n0.386211 0.227270 0.174508 H\n0.113788 0.772730 0.674508 H\n0.124891 0.226068 0.535870 Se\n0.375109 0.773933 0.035870 Se\n0.624891 0.273932 0.464130 Se\n0.875109 0.726068 0.964130 Se\n0.571354 0.536364 0.318170 O\n0.928645 0.463637 0.818170 O\n0.172508 0.481005 0.672157 O\n0.327492 0.518995 0.172157 O\n0.672508 0.018995 0.327843 O\n0.827492 0.981006 0.827843 O\n0.025945 0.341999 0.416305 O\n0.716389 0.429301 0.583780 O\n0.525944 0.158001 0.583696 O\n0.974055 0.841999 0.083696 O\n0.216389 0.070699 0.416220 O\n0.283611 0.929301 0.916220 O\n0.428646 0.036364 0.181830 O\n0.783611 0.570700 0.083780 O\n0.474055 0.658002 0.916305 O\n0.071354 0.963637 0.681830 O\n",
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{
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"structure_string": "Mg2 Zn1 Ga1\n1.0\n-9.790964 0.000000 -5.652814\n-6.378575 0.192114 -0.257613\n-5.480410 2.732509 -1.813282\nMg Zn Ga\n2 1 1\ndirect\n0.753871 0.000000 -0.000000 Mg\n0.246128 0.000000 -0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ga\n",
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]
}